N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide

C13H15N3O — CID 113258424

IUPACN-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCc1cnc[nH]1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(2)12(9)13(17)15-7-11-6-14-8-16-11/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBCGPBFAEFMHHNH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide

N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide (PubChem CID 113258424) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
PubChem CID113258424
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCc1cnc[nH]1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-10(2)12(9)13(17)15-7-11-6-14-8-16-11/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBCGPBFAEFMHHNH-UHFFFAOYSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
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N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
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N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79883820
N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
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N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525
3-amino-N-(1H-imidazol-5-ylmethyl)-2-nitrobenzamide
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N-(1H-imidazol-5-ylmethyl)but-2-enamide
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1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
CID 106551379
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CID 80641974

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide (CID 113258424) is N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide?
The InChIKey is BCGPBFAEFMHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-3-5-10(2)12(9)13(17)15-7-11-6-14-8-16-11/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide?
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 113258424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).